An ab initio molecular orbital study of the argon hydride molecule-ions, ArH+ and ArD+ , at the MP4(SDQ)/6-311++G( 3df,3dp ) level. II. The changes in bonding MOs during the Born-Oppenheimer stepwise scan of the internuclear potential energy of the X1Σ+ ground state of the 40Ar1H+ molecule-ion

Chemical Physics Letters

Volumn 350, Issue 1-2, 2001, Pages 181-188

  Schutte, C J H ^a  

^a UNIVERSITY OF SOUTH AFRICA   (South Africa)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001434295     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)01193-9     Document Type: Article

References (24)

1. Schutte C.J.H. Chem. Phys. Lett. 345:2001;525.
2. Bailar J.C. Jr., Emeléus H.J., Nyholm R., Trotman-Dickenson A.F. Comprehensive Inorganic Chemistry. vol. 1:1973;Pergamon Press, Oxford.
3. Heath D.F., Linnet J.W. Trans. Faraday Soc. 44:1948;561.
4. Heath D.F., Linnet J.W. Trans. Faraday Soc. 44:1948;873.
5. Heath D.F., Linnet J.W. Trans. Faraday Soc. 44:1948;878.
6. Heath D.F., Linnet J.W. Trans. Faraday Soc. 44:1948;884.
7. Linnet J.W., Wheatley P.J. Trans. Faraday Soc. 45:1949;33.
8. Linnet J.W., Wheatley P.J. Trans. Faraday Soc. 45:1949;39.
9. Linnet J.W., Hoare M.F. Trans. Faraday Soc. 45:1949;844.
10. Torkington P. J. Chem. Phys. 19:1951;528.
11. Torkington P. J. Chem. Phys. 21:1953;83.
12. Aldous J. Spectrochim. Acta. 19:1963;1567.
13. Mills I.M. Spectrochim Acta. 19:1963;1585.
14. Purcell K.F. Inorg. Chem. 11:1972;891.
15. Nagatsuji H. J. Am. Chem. Soc. 95:1973;2084.
16. Marconi G. Chem. Phys. Lett. 146:1988;259.
17. Chipman D.M., Palke W.E., Kirtman B. J. Am. Chem. Soc. 102:1980;3377.
18. Frisch M.J.et al. Gaussian 98, Revision A.9. 1998;Gaussian, Pittsburgh, PA.
19. GaussView 2.1, Gaussian, Pittsburgh, PA. See: http://www.gaussian.com.
20. Schutte C.J.H. Chem. Phys. Lett. 2001;. (submitted).
21. Dabrowski I., Tokaryk D.W., Vervloet M., Watson J.K.G. J. Chem. Phys. 104:1996;8245.
22. Dabrowski I., Tokaryk D.W., Watson J.K.G. J. Mol. Spectrosc. 189:1998;95.
23. Dabrowski I., Tokaryk D.W., Lipson R.H., Watson J.K.G. J. Mol. Spectrosc. 189:1998;110.
24. Nolan C.R., Tokaryk D.W., Watson J.K.G. Can. J. Phys. 79:2001;189.